USP-ID

USP-ID is a powerful NMR spectral analysis software platform developed by SciY that combines a database of quantum mechanical (QM) models with smart automation algorithms. Designed for scientists working in chemical analysis, it provides an easy-to-use environment for the identification and quantification of a wide range of chemical components in both simple solutions and complex mixtures. With minimal training required, USP-ID makes NMR analysis more accessible to a broader range of laboratory professionals.

At the core of USP-ID is quantum mechanical spectral analysis, which enables the software to accurately resolve overlapping signals and identify or quantify chemicals even when no single distinct signal is present. The platform supports both targeted and non-targeted screening workflows and is compatible with USP's recently revised quality standards for nuclear magnetic resonance (NMR) and quantitative NMR (qNMR), including USP-NF General Chapters on NMR Spectroscopy and its applications.

Key Features

• Automatic Chemical Identification: The "Confirm ID" workspace enables automatic chemical identification by screening samples against a broad library of reference compounds. Both targeted workflows, where specific chemical references are pre-selected, and non-targeted workflows, where no pre-selection is required, are fully supported.
• Find Impurities: The "Find Impurities" feature eliminates manual spectral impurity scans by automatically identifying and labeling signals that do not correspond to a confirmed chemical. Selecting a signal in this workspace highlights it in the spectral viewer for guided review.
• Automatic Quantitation: The "Determine Quantities" feature removes the need for time-consuming manual signal integration, enabling fast quantification based on all matched signals by comparison to an internal standard of known concentration.
• Report Generator: Automatically generates shareable PDF reports detailing reproducible analysis steps and results, including tables of matched compounds and purity values.
• Customizable Libraries: Users can create and manage custom libraries stored locally on their PC. These custom libraries and models can be used across the full range of automated NMR data analysis workflows, with drop-in support via the library manager.
• Information Workspace: Displays current analysis results from "Confirm ID", "Find Impurities", and "Determine Quantities" in a consolidated view beneath the spectral viewer.
• Automatic Peak Labeling: After "Confirm ID" runs, all identified peaks are automatically matched to compounds and labeled directly in the spectral viewer, making results easier to verify and share.
• Multi-library Analysis: Supports simultaneous searching across one or multiple libraries, including custom local libraries, during non-targeted spectral analysis.
• Selectable Analytical Methods: Different analysis methods are available for automatic chemical identification and can be selected from a dropdown in the information workspace. Users can modify and save methods for future use.

Key Benefits

• Easily Identify Chemicals and Impurities: USP-ID automatically identifies, quantifies, and labels a broad range of chemical components in complex mixtures. With as little as 10 minutes of video training, NMR analysis becomes more approachable for all users.
• Resolve Overlapping Peaks: Quantum mechanical models based on USP reference standards and smart analytics improve spectral interpretability, enabling identification and quantification even in challenging spectral conditions.
• Customize Databases Locally: Users can leverage USP-ID's automation capabilities with drop-in support for models and databases they create and own, with additional support available from USP for custom model development.

Workflow Capabilities

• Screen samples against QM fingerprint databases to identify and quantify mixture components
• Accurately resolve overlapping signals for reliable complex mixture analysis
• Run targeted or non-targeted screening workflows depending on analytical needs
• Automatically generate consistent, detailed reports for documentation and compliance purposes

USP-ID is integrated into Mnova and is compatible with related products including Mnova NMR, Mnova SMA, and Mnova qNMR. The platform aligns with USP quality standards for NMR and qNMR, and USP Education offers free training courses to support stakeholder adoption, including "Drug Quality Control Applications for qNMR." USP-ID is available via a web store, with trial and demo options also offered.